N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide

C14H15ClF3NO2 — CID 110863811

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide
SMILESO=C(CC1CCCOC1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H15ClF3NO2/c15-10-3-4-12(11(7-10)14(16,17)18)19-13(20)6-9-2-1-5-21-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,19,20)
InChIKeyJINZBHYTGLDQAK-UHFFFAOYSA-N
MW321.73 g/mol
LogP4.11
Rot. Bonds3

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide (PubChem CID 110863811) has the molecular formula C14H15ClF3NO2 and a molecular weight of 321.73 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide
PubChem CID110863811
Molecular FormulaC14H15ClF3NO2
Molecular Weight321.73 g/mol
Exact Mass321.07
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide
SMILESO=C(CC1CCCOC1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H15ClF3NO2/c15-10-3-4-12(11(7-10)14(16,17)18)19-13(20)6-9-2-1-5-21-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,19,20)
InChIKeyJINZBHYTGLDQAK-UHFFFAOYSA-N
XLogP4.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.73
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dichlorophenyl)-2-(oxan-3-yl)acetamide
CID 110864058
N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]-2-[(3R)-oxan-3-yl]acetamide
CID 99839578
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-(2,6-difluorophenyl)-2-(oxan-3-yl)acetamide
CID 110865266
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(oxolan-2-ylmethyl)oxamide
CID 108507658
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-(2,5-dichlorophenyl)-2-(oxetan-3-yl)acetamide
CID 110476456
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136419
2-(4-chlorophenoxy)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 1352117
N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
CID 110862725

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide (CID 110863811) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide is O=C(CC1CCCOC1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide?
The InChIKey is JINZBHYTGLDQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO2/c15-10-3-4-12(11(7-10)14(16,17)18)19-13(20)6-9-2-1-5-21-8-9/h3-4,7,9H,1-2,5-6,8H2,(H,19,20).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide has a molecular weight of 321.73 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(oxan-3-yl)acetamide is sourced from PubChem (CID 110863811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).